ethane;3-[2-(2-fluorophenoxy)ethoxy]-N-propan-2-ylpropan-1-amine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide

About ethane;3-[2-(2-fluorophenoxy)ethoxy]-N-propan-2-ylpropan-1-amine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide

ethane;3-[2-(2-fluorophenoxy)ethoxy]-N-propan-2-ylpropan-1-amine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide (PubChem CID 178082673) has the molecular formula C28H43FN4O5 and a molecular weight of 534.67 g/mol. Its IUPAC name is ethane;3-[2-(2-fluorophenoxy)ethoxy]-N-propan-2-ylpropan-1-amine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name	ethane;3-[2-(2-fluorophenoxy)ethoxy]-N-propan-2-ylpropan-1-amine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
PubChem CID	178082673
Molecular Formula	C28H43FN4O5
Molecular Weight	534.67 g/mol
Exact Mass	534.32
IUPAC Name	ethane;3-[2-(2-fluorophenoxy)ethoxy]-N-propan-2-ylpropan-1-amine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
SMILES	CC.CC(C)NCCCOCCOc1ccccc1F.CC1CCC(C(=O)Nc2ccnc(C(N)=O)c2)O1
InChI	InChI=1S/C14H22FNO2.C12H15N3O3.C2H6/c1-12(2)16-8-5-9-17-10-11-18-14-7-4-3-6-13(14)15;1-7-2-3-10(18-7)12(17)15-8-4-5-14-9(6-8)11(13)16;1-2/h3-4,6-7,12,16H,5,8-11H2,1-2H3;4-7,10H,2-3H2,1H3,(H2,13,16)(H,14,15,17);1-2H3
InChIKey	IRAOCMYHKAOGFO-UHFFFAOYSA-N
XLogP	4.32
TPSA	124.80 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	12
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.67
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of ethane;3-[2-(2-fluorophenoxy)ethoxy]-N-propan-2-ylpropan-1-amine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?

The IUPAC name of ethane;3-[2-(2-fluorophenoxy)ethoxy]-N-propan-2-ylpropan-1-amine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide (CID 178082673) is ethane;3-[2-(2-fluorophenoxy)ethoxy]-N-propan-2-ylpropan-1-amine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide.

What is the SMILES notation for ethane;3-[2-(2-fluorophenoxy)ethoxy]-N-propan-2-ylpropan-1-amine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?

The canonical SMILES for ethane;3-[2-(2-fluorophenoxy)ethoxy]-N-propan-2-ylpropan-1-amine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide is CC.CC(C)NCCCOCCOc1ccccc1F.CC1CCC(C(=O)Nc2ccnc(C(N)=O)c2)O1.

What is the InChIKey of ethane;3-[2-(2-fluorophenoxy)ethoxy]-N-propan-2-ylpropan-1-amine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?

The InChIKey is IRAOCMYHKAOGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2.C12H15N3O3.C2H6/c1-12(2)16-8-5-9-17-10-11-18-14-7-4-3-6-13(14)15;1-7-2-3-10(18-7)12(17)15-8-4-5-14-9(6-8)11(13)16;1-2/h3-4,6-7,12,16H,5,8-11H2,1-2H3;4-7,10H,2-3H2,1H3,(H2,13,16)(H,14,15,17);1-2H3.

What are the key properties of ethane;3-[2-(2-fluorophenoxy)ethoxy]-N-propan-2-ylpropan-1-amine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?

ethane;3-[2-(2-fluorophenoxy)ethoxy]-N-propan-2-ylpropan-1-amine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide has a molecular weight of 534.67 g/mol, XLogP of 4.32, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;3-[2-(2-fluorophenoxy)ethoxy]-N-propan-2-ylpropan-1-amine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 178082673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).